methyl (2S)-2-acetamido-3-[4-(5-methanoyl-2-nitro-phenoxy)phenyl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-[4-(5-methanoyl-2-nitro-phenoxy)phenyl]propanoate Openeye Name: methyl (2S)-2-acetamido-3-[4-(5-formyl-2-nitro-phenoxy)phenyl]propanoate CAS Name: (2S)-2-acetamido-3-[4-(5-formyl-2-nitrophenoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-[4-(5-formyl-2-nitrophenoxy)phenyl]propanoate Traditional Name: (2S)-2-acetamido-3-[4-(5-formyl-2-nitro-phenoxy)phenyl]propionic acid methyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OC2=C(C=CC(=C2)C=O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)OC2=C(C=CC(=C2)C=O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H18N2O7/c1-12(23)20-16(19(24)27-2)9-13-3-6-15(7-4-13)28-18-10-14(11-22)5-8-17(18)21(25)26/h3-8,10-11,16H,9H2,1-2H3,(H,20,23)/t16-/m0/s1